(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine

C22H28N4 — CID 72937941

IUPAC(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(Cc3c(C)nc4ccccn34)C[C@H]2N(C)C)cc1
InChIInChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)19-13-25(15-21(19)24(3)4)14-20-17(2)23-22-7-5-6-12-26(20)22/h5-12,19,21H,13-15H2,1-4H3/t19-,21+/m0/s1
InChIKeyFNJFPFZRXWIABD-PZJWPPBQSA-N
MW348.49 g/mol
LogP3.48
Rot. Bonds4

About (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine

(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine (PubChem CID 72937941) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine
PubChem CID72937941
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine
SMILESCc1ccc([C@@H]2CN(Cc3c(C)nc4ccccn34)C[C@H]2N(C)C)cc1
InChIInChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)19-13-25(15-21(19)24(3)4)14-20-17(2)23-22-7-5-6-12-26(20)22/h5-12,19,21H,13-15H2,1-4H3/t19-,21+/m0/s1
InChIKeyFNJFPFZRXWIABD-PZJWPPBQSA-N
XLogP3.48
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine (CID 72937941) is (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine is Cc1ccc([C@@H]2CN(Cc3c(C)nc4ccccn34)C[C@H]2N(C)C)cc1.
What is the InChIKey of (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is FNJFPFZRXWIABD-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H28N4/c1-16-8-10-18(11-9-16)19-13-25(15-21(19)24(3)4)14-20-17(2)23-22-7-5-6-12-26(20)22/h5-12,19,21H,13-15H2,1-4H3/t19-,21+/m0/s1.
What are the key properties of (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine?
(3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 348.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N,N-dimethyl-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 72937941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).